2-(3-Oxocyclohexyl)acetic acid

Name: 2-(3-Oxocyclohexyl)acetic acid
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CAS No. 39762-51-1
Cat. No. CS-0252237
Purity≥97%
MDL No.None

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2-(3-Oxocyclohexyl)acetic acid|CS-0252237

Structure of 39762-51-1

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General Information

CAS No. 39762-51-1
Cat. No. CS-0252237
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₂O₃
Molecular Weight 156.18
Synonym(s) cyclohexanone-3-acetic acid
SMILES O=C(O)CC1CC(CCC1)=O

Description

This cyclohexyl-containing carboxylic acid features a ketone-functionalized side chain, enabling integration into diverse synthetic scaffolds. The molecule combines structural rigidity with reactive handles suitable for conjugation and derivatization under standard conditions.

Application

2-(3-Oxocyclohexyl)acetic acid serves as a versatile building block for cyclohexanone-derived scaffolds, enabling efficient access to functionalized heterocycles and bioactive intermediates. Its α,β-unsaturated ketone motif facilitates Michael additions and aldol condensations, while the carboxylic acid group supports direct derivatization or activation for amide bond formation. Bench-stable and readily purified by recrystallization, it functions effectively in standard organic synthesis workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 54.37
LogP 1.2204
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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2-(3-Oxocyclohexyl)acetic acid

CAS No. 39762-51-1

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